cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine

C13H17N3 — CID 68830744

IUPACcis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](Cn2cc3ccccc3n2)C1
InChIInChI=1S/C13H17N3/c14-12-6-5-10(7-12)8-16-9-11-3-1-2-4-13(11)15-16/h1-4,9-10,12H,5-8,14H2/t10-,12+/m1/s1
InChIKeyTXARKEVDONUGOO-PWSUYJOCSA-N
MW215.30 g/mol
LogP2.16
Rot. Bonds2

About cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine

cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine (PubChem CID 68830744) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine
PubChem CID68830744
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Namecis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](Cn2cc3ccccc3n2)C1
InChIInChI=1S/C13H17N3/c14-12-6-5-10(7-12)8-16-9-11-3-1-2-4-13(11)15-16/h1-4,9-10,12H,5-8,14H2/t10-,12+/m1/s1
InChIKeyTXARKEVDONUGOO-PWSUYJOCSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(indazol-2-ylmethyl)cyclopropan-1-amine
CID 84770454
2-(cyclopropylmethyl)-6-methylindazole;ethane
CID 145062293
cis-(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine
CID 59689224
2-(cyclopropylmethyl)-4-methylindazole
CID 165121236
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
3-(indazol-1-ylmethyl)cyclohexan-1-amine
CID 67985266
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
2-[(4-fluorophenyl)methyl]indazole
CID 66772041
N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 114146982
5-bromo-2-(piperidin-4-ylmethyl)indazole
CID 84815226
2-chloro-N-[4-(indazol-1-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide;2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
CID 88911585
7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 136549609

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine (CID 68830744) is cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine is N[C@H]1CC[C@@H](Cn2cc3ccccc3n2)C1.
What is the InChIKey of cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is TXARKEVDONUGOO-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17N3/c14-12-6-5-10(7-12)8-16-9-11-3-1-2-4-13(11)15-16/h1-4,9-10,12H,5-8,14H2/t10-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine?
cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(indazol-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 68830744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).